Repositories list

• KIF

  Public
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.

  machine-learninganalysisproteins+ 5molecular-dynamicscomputational-biologyinteractionsbiophysicsenzymes

  Python

  •

  GNU General Public License v2.0

  •2•23•0•0•Updated May 30, 2024May 30, 2024

• friends_and_neighbors

  Public
  Jupyter Notebook

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Feb 15, 2024Feb 15, 2024

• KIN

  Public
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across Protein Families".

  Python

  •

  GNU General Public License v2.0

  •1•12•0•0•Updated Nov 14, 2023Nov 14, 2023

• micellemaker

  Public
  Micelle Maker source code

  molecular-dynamicscomputational-biologymolecular-dynamics-simulation+ 1computational-biophysics

  Python

  •

  GNU General Public License v3.0

  •0•1•0•0•Updated Nov 10, 2023Nov 10, 2023

• cadee

  Public
  CADEE: Computer-Aided Directed Evolution of Enzymes

  Python

  •

  Other

  •3•17•2•0•Updated Nov 7, 2023Nov 7, 2023

• Qrepex

  Public
  Python

  •

  GNU General Public License v2.0

  •0•0•0•0•Updated Nov 17, 2022Nov 17, 2022

• equilibration-inputs

  Public
  0•0•0•0•Updated Oct 1, 2019Oct 1, 2019